[(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine

C12H18N2O3S — CID 125054106

IUPAC[(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
SMILESCOc1cccc(CN2CC[C@H](CN)S2(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-17-11-4-2-3-10(7-11)9-14-6-5-12(8-13)18(14,15)16/h2-4,7,12H,5-6,8-9,13H2,1H3/t12-/m1/s1
InChIKeyLNUCLJJBPUWVAJ-GFCCVEGCSA-N
MW270.35 g/mol
LogP0.56
Rot. Bonds4

About [(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine

[(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine (PubChem CID 125054106) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is [(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine.

Molecular Properties

Compound Name[(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
PubChem CID125054106
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name[(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
SMILESCOc1cccc(CN2CC[C@H](CN)S2(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-17-11-4-2-3-10(7-11)9-14-6-5-12(8-13)18(14,15)16/h2-4,7,12H,5-6,8-9,13H2,1H3/t12-/m1/s1
InChIKeyLNUCLJJBPUWVAJ-GFCCVEGCSA-N
XLogP0.56
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 53003763
[1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine
CID 166244914
[(3aR,8aR)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-cyclopropylmethanone
CID 155876410
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
[(3aR,8aR)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-(3-methoxyphenyl)methanone
CID 97440903
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
[4-[(3-methoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanamine
CID 102938955
(3aR,8aR)-6-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine 1,1-dioxide;2,2,2-trifluoroacetic acid
CID 155855177
8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320

Frequently Asked Questions

What is the IUPAC name of [(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
The IUPAC name of [(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine (CID 125054106) is [(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine.
What is the SMILES notation for [(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
The canonical SMILES for [(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine is COc1cccc(CN2CC[C@H](CN)S2(=O)=O)c1.
What is the InChIKey of [(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
The InChIKey is LNUCLJJBPUWVAJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-17-11-4-2-3-10(7-11)9-14-6-5-12(8-13)18(14,15)16/h2-4,7,12H,5-6,8-9,13H2,1H3/t12-/m1/s1.
What are the key properties of [(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
[(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine has a molecular weight of 270.35 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine is sourced from PubChem (CID 125054106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).